SCHEMBL4127912

SCHEMBL4127912

C#Cc1cccc(Nc2ncnc3cc(OCC)c(OCC)cc23)c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.64
EGFR P00533 13/20 0.61
RET P07949 3/20 0.55
KIF5B P33176 1/20 0.55
ERBB2 P04626 3/20 0.54
ERBB4 Q15303 3/20 0.54
ILK Q13418 2/20 0.52
PLK4 O00444 1/20 0.50
CIT O14578 1/20 0.50
AURKA O14965 1/20 0.50
GAK O14976 1/20 0.50
EPHB6 O15197 1/20 0.50
SLC22A1 O15245 1/20 0.50
DAPK3 O43293 1/20 0.50
RIPK2 O43353 1/20 0.50
BUB1 O43683 1/20 0.50
KDM1A O60341 1/20 0.50
JAK2 O60674 1/20 0.50
RPS6KA4 O75676 1/20 0.50
STK17B O94768 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1507513 0.99 EGFR (0.63) FBP1EGFRRETKIF5BERBB2
Hydrochloric Acid SCHEMBL8681050 0.93 EGFR (0.57) FBP1EGFRRETKIF5BERBB2
SCHEMBL1507462 0.89 RET (0.70) FBP1EGFRRETKIF5BILK
SCHEMBL3172507 0.89 EGFR (0.67) FBP1EGFRRETKIF5BERBB2
SCHEMBL4116471 0.89 EGFR (0.60) FBP1EGFRRETKIF5BERBB2
SCHEMBL27719215 0.89 FBP1 (0.60) FBP1EGFRRETKIF5BERBB2
SCHEMBL4461528 0.88 EGFR (0.66) FBP1EGFRRETKIF5BERBB2
Hydrochloric Acid SCHEMBL1507505 0.85 EGFR (0.60) FBP1EGFRRETKIF5BERBB2
SCHEMBL1657704 0.79 FBP1 (0.68) FBP1EGFRRETKIF5BERBB2
SCHEMBL1657826 0.79 EGFR (0.79) FBP1EGFRRETKIF5BERBB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-02-19 US disclosed
EP-1859793-A1 NOVEL COMBINATIONAL USE OF SULFONAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-11-28 EP disclosed
CN-1066142-C Quinazoline derivatives PFIZER (US) 2001-05-23 CN disclosed
CN-1137037-A Quinazoline derivatives PFIZER (US) 1996-12-04 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EGFR, KIT, ERBB2 FBP1 2793/4885EGFR 1/4885RET 15/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.